Geometry & MOs

Info

ID:	352788
PubChem CID:	127283877
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	19.87
Dipole, Da:	4.3
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations